[Openmm-news] OpenMM version 5.2
Joy P. Ku
joyku at stanford.edu
Thu Oct 17 11:00:24 PDT 2013
We are pleased to announce OpenMM version 5.2. With this version, the
performance of simulations continues to improve. See benchmarks at
<http://wiki.simtk.org/openmm/BenchmarkOpenMMDHRF>
http://wiki.simtk.org/openmm/BenchmarkOpenMMDHRF. In addition, we have a
number of new features, including:
* Drude oscillators - enables incorporation of polarizable force fields
* The MonteCarloAnisotropicBarostat - allows the scaling of only one axis
of the periodic box during a Monte Carlo move, so the box can change shape
and size over the simulation
* Enhanced CustomNonbondedForce - you can now limit interactions to only
specific groups of particles, specify a long range truncation correction,
and more
* Enhanced NonbondedForce - now supports a switching function with
Lennard-Jones interactions, which is useful when very precise energy
conservation is needed
* Support on Intel's integrated GPU core - the OpenCL platform can now
run on the integrated GPU cores on recent Intel processors running Windows
For a full list of features and bug fixes or to download the latest
version, visit <https://simtk.org/project/xml/downloads.xml?group_id=161>
https://simtk.org/project/xml/downloads.xml?group_id=161.
---
Joy P. Ku, PhD
Director, <http://simbios.stanford.edu/> Simbios
Director of Communications & Training, <http://opensim.stanford.edu/>
NCSRR
Stanford University
(w) 650.736.8434, (f) 650.723.7461
Email: <mailto:joyku at stanford.edu> joyku at stanford.edu
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